(Z)-(5-azanylidene-3-methyl-1-phenyl-pyrazol-4-ylidene)-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]diazenyl]sulfanyl-methanethiolate; chloranylnickel

Systemtic Name: (Z)-(5-azanylidene-3-methyl-1-phenyl-pyrazol-4-ylidene)-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]diazenyl]sulfanyl-methanethiolate; chloranylnickel Openeye Name: chloronickel; (Z)-(4-guanidinosulfonylphenyl)azosulfanyl-(5-imino-3-methyl-1-phenyl-pyrazol-4-ylidene)methanethiolate CAS Name: chloronickel; (Z)-[[4-(diaminomethylideneamino)sulfonylphenyl]azothio]-(5-imino-3-methyl-1-phenyl-4-pyrazolylidene)methanethiolate IUPAC Name: chloronickel; (Z)-[[4-(diaminomethylideneamino)sulfonylphenyl]diazenyl]sulfanyl-(5-imino-3-methyl-1-phenylpyrazol-4-ylidene)methanethiolate Traditional Name: chloronickel; (Z)-[(4-guanidinosulfonylphenyl)azothio]-(5-imino-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methanethiolate Formula: C18H17ClN8NiO2S3- MolecularWeight: 567.72138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N)C1=C([S-])SN=NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)C3=CC=CC=C3.Cl[Ni]

Isomeric SMILES

CC\1=NN(C(=N)/C1=C(/[S-])\SN=NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)C3=CC=CC=C3.Cl[Ni]

InChI

InChI=1S/C18H18N8O2S3.ClH.Ni/c1-11-15(16(19)26(23-11)13-5-3-2-4-6-13)17(29)30-25-22-12-7-9-14(10-8-12)31(27,28)24-18(20)21;;/h2-10,19,29H,1H3,(H4,20,21,24);1H;/q;;+1/p-2/b17-15-,19-16?,25-22?;;